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4-(4'-Tolyl)-[2.2]paracyclophane

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 MS (GC)

4-(4'-Tolyl)-[2.2]paracyclophane
SpectraBase Compound ID Jtv6vjiUHyi
InChI InChI=1S/C23H22/c1-17-2-12-21(13-3-17)23-16-20-9-8-18-4-6-19(7-5-18)10-14-22(23)15-11-20/h2-7,11-13,15-16H,8-10,14H2,1H3
InChIKey KQCLIPDQNRFBFB-UHFFFAOYSA-N
Mol Weight 298.43 g/mol
Molecular Formula C23H22
Exact Mass 298.172151 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID tapm9ANDff
Name 4-(4'-Tolyl)-[2.2]paracyclophane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.172150708 u
Formula C23H22
InChI InChI=1S/C23H22/c1-17-2-12-21(13-3-17)23-16-20-9-8-18-4-6-19(7-5-18)10-14-22(23)15-11-20/h2-7,11-13,15-16H,8-10,14H2,1H3
InChIKey KQCLIPDQNRFBFB-UHFFFAOYSA-N
SMILES C=1(C=2CCC=3C=CC(CCC(C1)=CC2)=CC3)C1=CC=C(C=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.82843